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MMsINC code: MMs00165563

Type: Ionized
Formula: C₂₀H₁₄FN₂O₅S-

SMILES:

S(=O)(=O)(Nc1cc(ccc1)C(=O)[O-])c1cc(ccc1)C(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C20H15FN2O5S/c21-15-7-9-16(10-8-15)22-19(24)13-3-2-6-18(12-13)29(27,28)23-17-5-1-4-14(11-17)20(25)26/h1-12,23H,(H,22,24)(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6144 kcal/mol

Physical Properties
Molecular Weight: 413.405 g/mol	logS: -5.54154	SlogP: 2.2423	Reactive groups: 0

Topological Properties
Globularity: 0.0696753	Sterimol/B1: 3.18382	Sterimol/B2: 4.53452	Sterimol/B3: 5.44094
Sterimol/B4: 5.71361	Sterimol/L: 18.7175

Surface and Volume Properties
Accessible surface: 627.433	Positive charged surface: 277.545	Negative charged surface: 349.888	Volume: 351.875
Hydrophobic surface: 419.074	Hydrophilic surface: 208.359

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs00165562
ASINEX-ZINC00792987